HMDB0241683 RDKit 3D Hept-5-enoylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 6.4953 1.8538 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 0.7812 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -0.1866 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -1.2751 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 -1.3108 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -0.0374 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -0.1568 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -0.0223 -1.7291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.4140 0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 -0.5201 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 -1.8914 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -1.9128 1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.3614 2.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -1.4003 2.2754 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3981 0.5258 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 0.6755 -0.0093 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9669 2.1030 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 -0.0610 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 0.4387 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 2.5225 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 2.3984 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 1.3714 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 0.7635 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 -0.2132 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 -2.2377 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -1.1443 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0437 -1.4758 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 -2.1413 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 0.8619 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 0.1011 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 -0.3697 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -2.6164 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -2.2179 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 0.3605 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 1.5444 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 2.3751 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 2.6576 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 2.1811 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 -0.3927 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 0.6022 -1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8883 -0.9064 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2179 1.3251 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2774 -0.4135 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 0.2362 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 M CHG 2 14 -1 16 1 M END